SCHEMBL5221287

SCHEMBL5221287

Cn1nc(C2CCC2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1CN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
KCNJ6 P48051 2/20 0.41
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
CCR3 P51677 16/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2D6 P10635 1/20 0.38
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
CCR5 P51681 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5221857 0.97 NTRK1 (0.45) NTRK1KCNJ6KCNJ5KCNJ3CCR3
SCHEMBL5222861 0.88 CCR3 (0.40) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5222409 0.81 CYP3A4 (0.44) NTRK1KCNJ6KCNJ5KCNJ3CYP3A4
SCHEMBL5447025 0.79 KCNJ6 (0.39) NTRK1KCNJ6KCNJ5KCNJ3CYP3A4
SCHEMBL5224109 0.78 LMNA (0.45) CCR3
SCHEMBL5220601 0.78 CCR3 (0.48) CCR3GAA
SCHEMBL5223189 0.78 CCR3 (0.42) CCR3GAA
SCHEMBL5223671 0.77 CYP3A4 (0.48) NTRK1KCNJ6KCNJ5KCNJ3CYP3A4
SCHEMBL5221849 0.77 POLB (0.48) CCR3GAACYP2D6CXCR1CXCR2
SCHEMBL5221852 0.76 CYP3A4 (0.41) NTRK1KCNJ6KCNJ5KCNJ3CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US claimed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 NTRK1 3754/4885KCNJ6 972/4885KCNJ5 995/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.